mp-1191139-2/Sm3SbO7/harm

Harmonic properties

../../_images/fig_bandos_pr16056.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20472.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16055.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215651.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times26416.png

(a) Computation time